2-chloro-5-(chloromethyl)pyridine;pyridine

C11H10Cl2N2 — CID 90098666

IUPAC2-chloro-5-(chloromethyl)pyridine;pyridine
SMILESClCc1ccc(Cl)nc1.c1ccncc1
InChIInChI=1S/C6H5Cl2N.C5H5N/c7-3-5-1-2-6(8)9-4-5;1-2-4-6-5-3-1/h1-2,4H,3H2;1-5H
InChIKeyJCZOPBHVGNJKKX-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.56
Rot. Bonds1

About 2-chloro-5-(chloromethyl)pyridine;pyridine

2-chloro-5-(chloromethyl)pyridine;pyridine (PubChem CID 90098666) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-chloro-5-(chloromethyl)pyridine;pyridine.

Molecular Properties

Compound Name2-chloro-5-(chloromethyl)pyridine;pyridine
PubChem CID90098666
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name2-chloro-5-(chloromethyl)pyridine;pyridine
SMILESClCc1ccc(Cl)nc1.c1ccncc1
InChIInChI=1S/C6H5Cl2N.C5H5N/c7-3-5-1-2-6(8)9-4-5;1-2-4-6-5-3-1/h1-2,4H,3H2;1-5H
InChIKeyJCZOPBHVGNJKKX-UHFFFAOYSA-N
XLogP3.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(chloromethyl)pyridine;pyridine?
The IUPAC name of 2-chloro-5-(chloromethyl)pyridine;pyridine (CID 90098666) is 2-chloro-5-(chloromethyl)pyridine;pyridine.
What is the SMILES notation for 2-chloro-5-(chloromethyl)pyridine;pyridine?
The canonical SMILES for 2-chloro-5-(chloromethyl)pyridine;pyridine is ClCc1ccc(Cl)nc1.c1ccncc1.
What is the InChIKey of 2-chloro-5-(chloromethyl)pyridine;pyridine?
The InChIKey is JCZOPBHVGNJKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N.C5H5N/c7-3-5-1-2-6(8)9-4-5;1-2-4-6-5-3-1/h1-2,4H,3H2;1-5H.
What are the key properties of 2-chloro-5-(chloromethyl)pyridine;pyridine?
2-chloro-5-(chloromethyl)pyridine;pyridine has a molecular weight of 241.12 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(chloromethyl)pyridine;pyridine is sourced from PubChem (CID 90098666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).